4-bromo-5-fluoro-1,3-dimethylpyrazole

C5H6BrFN2 — CID 71833020

IUPAC4-bromo-5-fluoro-1,3-dimethylpyrazole
SMILESCc1nn(C)c(F)c1Br
InChIInChI=1S/C5H6BrFN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKeyFQVSCBJYJWWQNS-UHFFFAOYSA-N
MW193.02 g/mol
LogP1.63
Rot. Bonds

About 4-bromo-5-fluoro-1,3-dimethylpyrazole

4-bromo-5-fluoro-1,3-dimethylpyrazole (PubChem CID 71833020) has the molecular formula C5H6BrFN2 and a molecular weight of 193.02 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-fluoro-1,3-dimethylpyrazole
PubChem CID71833020
Molecular FormulaC5H6BrFN2
Molecular Weight193.02 g/mol
Exact Mass191.97
IUPAC Name4-bromo-5-fluoro-1,3-dimethylpyrazole
SMILESCc1nn(C)c(F)c1Br
InChIInChI=1S/C5H6BrFN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKeyFQVSCBJYJWWQNS-UHFFFAOYSA-N
XLogP1.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.02
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1,3-dimethylpyrazole?
The IUPAC name of 4-bromo-5-fluoro-1,3-dimethylpyrazole (CID 71833020) is 4-bromo-5-fluoro-1,3-dimethylpyrazole.
What is the SMILES notation for 4-bromo-5-fluoro-1,3-dimethylpyrazole?
The canonical SMILES for 4-bromo-5-fluoro-1,3-dimethylpyrazole is Cc1nn(C)c(F)c1Br.
What is the InChIKey of 4-bromo-5-fluoro-1,3-dimethylpyrazole?
The InChIKey is FQVSCBJYJWWQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrFN2/c1-3-4(6)5(7)9(2)8-3/h1-2H3.
What are the key properties of 4-bromo-5-fluoro-1,3-dimethylpyrazole?
4-bromo-5-fluoro-1,3-dimethylpyrazole has a molecular weight of 193.02 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-1,3-dimethylpyrazole is sourced from PubChem (CID 71833020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).